Structure of PDB 1ly4 Chain A

Receptor sequence

>1ly4A (length=205) Species: 4754 (Pneumocystis carinii)

NQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFES
MNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHA
LELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIH
CDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEM
WTRDL

3D structure

• PDB: 1ly4 Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L25 E32
• Catalytic site (residue number reindexed from 1): L24 E31
• Enzyme Commision number: 1.5.1.3: dihydrofolate reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAP	A	A12 I19 N23 S24 G58 R59 K60 T61 I80 T81 R82 I123 G125 A126 Q127 L128 Y129	A11 I18 N22 S23 G57 R58 K59 T60 I79 T80 R81 I122 G124 A125 Q126 L127 Y128
BS02	COQ	A	I10 L25 E32 F36 I65 P66 F69	I9 L24 E31 F35 I64 P65 F68	MOAD: ic50=76nM BindingDB: IC50=76nM

Gene Ontology

Molecular Function

• GO:0004146 dihydrofolate reductase activity
• GO:0016491 oxidoreductase activity
• GO:0050661 NADP binding

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0046452 dihydrofolate metabolic process
• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046655 folic acid metabolic process

Cellular Component

• GO:0005739 mitochondrion

External links

• PDB: RCSB:1ly4, PDBe:1ly4, PDBj:1ly4
• PDBsum: 1ly4
• PubMed: 12198294
• UniProt: P16184|DYR_PNECA Dihydrofolate reductase